6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one

C10H18O3 — CID 167515526

IUPAC6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one
SMILESCC(=O)CCC(C)CC1OCCO1
InChIInChI=1S/C10H18O3/c1-8(3-4-9(2)11)7-10-12-5-6-13-10/h8,10H,3-7H2,1-2H3
InChIKeyUVDSMVXEUJQBES-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds5

About 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one

6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one (PubChem CID 167515526) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one
PubChem CID167515526
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one
SMILESCC(=O)CCC(C)CC1OCCO1
InChIInChI=1S/C10H18O3/c1-8(3-4-9(2)11)7-10-12-5-6-13-10/h8,10H,3-7H2,1-2H3
InChIKeyUVDSMVXEUJQBES-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one?
The IUPAC name of 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one (CID 167515526) is 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one.
What is the SMILES notation for 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one?
The canonical SMILES for 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one is CC(=O)CCC(C)CC1OCCO1.
What is the InChIKey of 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one?
The InChIKey is UVDSMVXEUJQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(3-4-9(2)11)7-10-12-5-6-13-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one?
6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-yl)-5-methylhexan-2-one is sourced from PubChem (CID 167515526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).